MMsINC Database Search


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MMsINC code: MMs00511834

Type: Neutral
Formula: C₁₃H₁₀ClNO₃S₂

SMILES:

Clc1c2c(sc1C(=O)NC1C=CS(=O)(=O)C1)cccc2

InChI:

InChI=1/C13H10ClNO3S2/c14-11-9-3-1-2-4-10(9)19-12(11)13(16)15-8-5-6-20(17,18)7-8/h1-6,8H,7H2,(H,15,16)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.497 kcal/mol

Physical Properties
Molecular Weight: 327.812 g/mol	logS: -4.45123	SlogP: 2.5952	Reactive groups: 0

Topological Properties
Globularity: 0.0478239	Sterimol/B1: 3.44333	Sterimol/B2: 3.72305	Sterimol/B3: 4.46832
Sterimol/B4: 4.79116	Sterimol/L: 15.766

Surface and Volume Properties
Accessible surface: 504.137	Positive charged surface: 200.009	Negative charged surface: 298.592	Volume: 260.625
Hydrophobic surface: 388.736	Hydrophilic surface: 115.401

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.